I am studying ABX3 perovskites, and I would like to calculate Goldschmidt tolerance factors for them. The A sites in these materials have a coordination number = 12.

The Shennon's paper (R. D. Shannon, Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides. Acta. Cryst. A 32, 751 (1976)) provides values for ionic radii for the coordination number = 12 only for a few elements but doesn't do it for most other elements.

Are there any sources, where I can get ionic radii for CN=12 for all elements?

  • 1
    Goldschmit has been shown to be a poor model to use with perovskites. – A.K. Oct 18 at 12:34
  • How many ionic compounds give coordination number 12? Close-packed structures forcing like charges together don't work well for ionic compounds. Our experimental database might be a bit limited. – Oscar Lanzi Oct 18 at 12:36

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